2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid

C14H26N2O4 — CID 63875636

IUPAC2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid
SMILESCCCCC(NC(=O)CCOC1CCNCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-3-4-12(14(18)19)16-13(17)7-10-20-11-5-8-15-9-6-11/h11-12,15H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyJUQLHAUNGJSXOO-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.90
Rot. Bonds9

About 2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid

2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid (PubChem CID 63875636) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid.

Molecular Properties

Compound Name2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid
PubChem CID63875636
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid
SMILESCCCCC(NC(=O)CCOC1CCNCC1)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-2-3-4-12(14(18)19)16-13(17)7-10-20-11-5-8-15-9-6-11/h11-12,15H,2-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyJUQLHAUNGJSXOO-UHFFFAOYSA-N
XLogP0.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-2-(3-piperidin-4-yloxypropanoylamino)pentanoic acid
CID 78953665
N-(2-ethylhexyl)-3-piperidin-4-yloxypropanamide
CID 63904485
2-(piperidine-4-carbonylamino)hexanoic acid
CID 61160247
(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 63902962
(2S)-2-(3-propoxypropanoylamino)hexanoic acid
CID 94548934
5-methoxy-5-oxo-2-[(2-piperidin-4-yloxyacetyl)amino]pentanoic acid
CID 82781715
(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
CID 107146972
(2S)-2-(hexanoylamino)hexanoic acid
CID 22214794
2-(7-methyloctanoylamino)hexanoic acid
CID 118160586
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-piperidin-4-yloxypropanamide
CID 106349871
(2S)-2-(3-cyclobutylpropanoylamino)hexanoic acid
CID 120615360
3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
CID 103920702

Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid?
The IUPAC name of 2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid (CID 63875636) is 2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid.
What is the SMILES notation for 2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid?
The canonical SMILES for 2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid is CCCCC(NC(=O)CCOC1CCNCC1)C(=O)O.
What is the InChIKey of 2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid?
The InChIKey is JUQLHAUNGJSXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-3-4-12(14(18)19)16-13(17)7-10-20-11-5-8-15-9-6-11/h11-12,15H,2-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid?
2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.90, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-4-yloxypropanoylamino)hexanoic acid is sourced from PubChem (CID 63875636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).